1-(2,4,6-trimethylphenyl)heptan-1-amine

C16H27N — CID 114752275

IUPAC1-(2,4,6-trimethylphenyl)heptan-1-amine
SMILESCCCCCCC(N)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H27N/c1-5-6-7-8-9-15(17)16-13(3)10-12(2)11-14(16)4/h10-11,15H,5-9,17H2,1-4H3
InChIKeyQCMWINJDZVLPRJ-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.58
Rot. Bonds6

About 1-(2,4,6-trimethylphenyl)heptan-1-amine

1-(2,4,6-trimethylphenyl)heptan-1-amine (PubChem CID 114752275) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 1-(2,4,6-trimethylphenyl)heptan-1-amine.

Molecular Properties

Compound Name1-(2,4,6-trimethylphenyl)heptan-1-amine
PubChem CID114752275
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name1-(2,4,6-trimethylphenyl)heptan-1-amine
SMILESCCCCCCC(N)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H27N/c1-5-6-7-8-9-15(17)16-13(3)10-12(2)11-14(16)4/h10-11,15H,5-9,17H2,1-4H3
InChIKeyQCMWINJDZVLPRJ-UHFFFAOYSA-N
XLogP4.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,4,6-trimethylphenyl)heptan-1-ol
CID 65148082
1-(2,3,5,6-tetramethylphenyl)nonan-1-amine
CID 65448374
1,3,5-trimethyl-2-octan-2-ylbenzene
CID 101366430
2-(1-bromononyl)-1,3,5-trimethylbenzene
CID 65428123
(1R)-1-(2,6-dimethoxy-4-methylphenyl)hexan-1-amine
CID 171215923
(1R)-1-(3,5-dimethylphenyl)hexan-1-amine
CID 171202167
4-[(1R)-1-aminopentyl]-3,5-dimethylphenol;hydrochloride
CID 171198708
1-(3-bromo-2,4,6-trimethylphenyl)hexan-1-amine
CID 114249229
2-butylsulfanyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 64609235
N'-[3-amino-3-(2,4,6-trimethylphenyl)propyl]-1-(2,4,6-trimethylphenyl)propane-1,3-diamine
CID 66808934
5,5,5-trifluoro-1-(2,4,6-trimethylphenyl)pentan-1-amine
CID 105024104
1-(2-fluoro-4,6-dimethylphenyl)heptylhydrazine
CID 106884598

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-trimethylphenyl)heptan-1-amine?
The IUPAC name of 1-(2,4,6-trimethylphenyl)heptan-1-amine (CID 114752275) is 1-(2,4,6-trimethylphenyl)heptan-1-amine.
What is the SMILES notation for 1-(2,4,6-trimethylphenyl)heptan-1-amine?
The canonical SMILES for 1-(2,4,6-trimethylphenyl)heptan-1-amine is CCCCCCC(N)c1c(C)cc(C)cc1C.
What is the InChIKey of 1-(2,4,6-trimethylphenyl)heptan-1-amine?
The InChIKey is QCMWINJDZVLPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-5-6-7-8-9-15(17)16-13(3)10-12(2)11-14(16)4/h10-11,15H,5-9,17H2,1-4H3.
What are the key properties of 1-(2,4,6-trimethylphenyl)heptan-1-amine?
1-(2,4,6-trimethylphenyl)heptan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-trimethylphenyl)heptan-1-amine is sourced from PubChem (CID 114752275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).